Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50025190'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50025190 (CHEMBL3337899) Show SMILES COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)10-25-22(31)19-27-21(30)18-16(12-35-23(18)28-19)11-26-20(29)14-5-7-15(8-6-14)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
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